2VF

(2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

Created:	2014-02-24
Last modified:	2014-03-05

Find Related PDB Entry
1 entries where 2VF is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	10

2D diagram of 2VF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2R)-9-(2-azanyl-2-oxidanylidene-ethyl)-6-chloranyl-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid
Formula	C₁₅ H₁₅ Cl N₂ O₃
Molecular Weight	306.744
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C3CCc2c1c(ccc(Cl)c1)n(c2C3)CC(=O)N
SMILES	CACTVS	3.385	NC(=O)Cn1c2C[CH](CCc2c3cc(Cl)ccc13)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Cl)c3c(n2CC(=O)N)CC(CC3)C(=O)O
Canonical SMILES	CACTVS	3.385	NC(=O)Cn1c2C[C@@H](CCc2c3cc(Cl)ccc13)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1
InChIKey	InChI	1.03	WEITVQPGVPEPAZ-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	73010405
ChEMBL	CHEMBL3577274

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.